Geometry & MOs

Info

ID:

120120

PubChem CID:

50714707

Reduced:

ClFN5O5H35C36 (1)

Stoich.:

ABC5D5E35F36 (1)

Weight, g/mol:

659.211089

ΔHf, kcal/mol:

-177.47

Dipole, Da:

8.29

IP(EA), eV:

 -8.8(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[2-fluoro-5-[(2-fluorobenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)Cl)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)NC(=O)C5=CC=C(C=C5)OC)F

DOS

IR

Vibrations